iBRD4-BD1 diTFA is a selective BRD4 bromodomain inhibitor. iBRD4-BD1 diTFA has inhibitory activity against BRD4 bromodomain with an IC50 value of 12 nM. iBRD4-BD1 diTFA can be used in the study of inflammation and oncology.

Physicochemical Properties

Molecular Formula	C33H32F9N5O5
Molecular Weight	749.62
CAS #	2839318-20-4
Appearance	Colorless to light yellow viscous liquid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	iBRD4-BD1 diTFA has affinity and selectivity for BET series BRD4-BD1 with an IC50 value of 12 nM[1]. iBRD4-BD1 diTFA has affinity and selectivity for BET series BRD4-BD2, BRD3-BD1, BRD3-BD2, BRD2-BD1 and BRD2-BD2 with IC50 values of 16 μM, 1.0 μM, 75 μM, 80 nM and 7.1 μM, respectively[1]. iBRD4-BD1 (0-50 μM; 72 h) diTFA is cytotoxic in MM.1S cells with an EC50 value of 2.3 μM[1].
References	[1]. Development of an N-Terminal BRD4 Bromodomain-Targeted Degrader. ACS Med Chem Lett. 2022 Sep 29;13(10):1621-1627.

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~133.40 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (3.34 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 25.0 mg/mL clear DMSO stock solution and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (3.34 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 25.0 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.3340 mL	6.6700 mL	13.3401 mL
	5 mM	0.2668 mL	1.3340 mL	2.6680 mL
	10 mM	0.1334 mL	0.6670 mL	1.3340 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.